General Information of the Compound
| Compound ID |
CP0539887
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| Compound Name |
US9315498, 108
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| Structure |
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| Formula |
C20H20FN3O
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| Molecular Weight |
337.398
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| Canonical SMILES |
CN1C(=O)N(CC1(C)C)c1ncc(cc1C)C#Cc1cccc(F)c1
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| InChI |
InChI=1S/C20H20FN3O/c1-14-10-16(9-8-15-6-5-7-17(21)11-15)12-22-18(14)24-13-20(2,3)23(4)19(24)25/h5-7,10-12H,13H2,1-4H3
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| InChIKey |
YJGLEGKIKAJLCG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound